INSTITUTE OF CHEMISTRY, EÖTVÖS UNIVERSITY

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  • 2018-August-1

The first application of quantum graphs to molecular vibrations

Two members of KKRK (Csaba Fábri and Attila G. Császár) have published a Communication titled Vibrational quantum graphs and their application to the quantum dynamics of CH5+ in Physical Chemistry Chemical Physics. The paper describes the very first application of the quantum-graph model to the vibrational quantum dynamics of molecules and demonstrates that the simple and intuitive quantum-graph model is able to decipher the complex and unique vibrational quantum dynamics of CH5+. Csaba Fábri presented a poster (AMOC 2018), an invited talk (3rd COST MOLIM General Meeting) and a contributed talk (Internal Symposium on Molecular Spectroscopy) about the topic.

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